SCHEMBL6008799

SCHEMBL6008799

Cc1[nH]c(=O)[nH]c1-c1nc(C(C)(C)C)c(O)c(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6975008 0.69 PTGS1 (0.37) PTGS1PTGS2
SCHEMBL10786388 0.67 CA2 (0.52) PTGS1PTGS2
SCHEMBL15470616 0.66 PARP1 (0.39) PTGS1PTGS2
SCHEMBL9119528 0.66 PTGS1 (0.54) PTGS1
SCHEMBL3618030 0.65 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL9406628 0.62 PDE3B (0.34)
SCHEMBL9119829 0.59 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL9122434 0.59 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL16787495 0.59 HCAR2 (0.34)
SCHEMBL9424431 0.59 PTGS1 (0.39) PTGS1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677386-A Compounds having lysosome and antiviral activity 瓦伦塔有限责任公司 2024-03-08 CN claimed
CN-117677386-A Compounds having lysosome and antiviral activity 瓦伦塔有限责任公司 2024-03-08 CN disclosed
US-7132441-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. (US) 2006-11-07 US disclosed